##

The Rotation Function Output File

The following example file contains a complete rotation function.
It is written
as a Mathematica script file. The 3-dimensional matrix is written
in (, , ),
(, , ), and
(, , ) levels for
Eulerian angles, Lattman's angles, and spherical polar angles,
respectively.

(* Rotation Function *)
rnumber= 393;
rave= 0.032;
rsigma= 0.048;
rmax= 0.221;
rmin= -0.075;
var={ "theta2", "theta-", "theta+" };
min={ 0.00000 , 0.00000 , 0.00000 };
max={ 90.00000 , 720.00000 , 360.00000 };
rf={
{
{
1, 2
},
{
3, 4
}
},
{
{ 3, 5
},
{ 6, 7
}
}
};

The values specified are the number of grid points (rnumber),
the average of the rotation function (rave), (rsigma),
maximum (rmax), and minimum (rmin) of the rotation function, the
meaning of the three dimensions of the matrix RF (var), and the
minimum and maximum values of the three angular parameters. The
rotation function itself is specified as a Mathematica list. Note
that the size of the , sections
may vary
with different choices of . (The use of this file
by Mathematica is described in Section 19.4.)

*Xplor-NIH 2023-11-10*